AE97508
171096-32-5 | Methyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AE97508
ChemicalName
Methyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate
CasNumber
171096-32-5
MolecularFormula
C7H8N2O4
MolecularWeight
184.14941999999996
MdlNumber
MFCD20526413
Smiles
COC(=O)Cc1c(O)ncnc1O
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-1.1
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CatalogNumber: AE97508
ChemicalName: Methyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate
CasNumber: 171096-32-5
MolecularFormula: C7H8N2O4
MolecularWeight: 184.14941999999996
MdlNumber: MFCD20526413
Smiles: COC(=O)Cc1c(O)ncnc1O
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.1
CatalogNumber:
AE97508
ChemicalName:
Methyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate
CasNumber:
171096-32-5
MolecularFormula:
C7H8N2O4
MolecularWeight:
184.14941999999996
MdlNumber:
MFCD20526413
Smiles:
COC(=O)Cc1c(O)ncnc1O
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: COc1cccc(c1)C1CCCC(=O)C1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
COc1cccc(c1)C1CCCC(=O)C1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)/C=C/C(=O)c1c(=O)[nH]c2c(c1c1ccc(cc1)Cl)cccc2
Complexity: __
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Smiles:
Clc1ccc(cc1)/C=C/C(=O)c1c(=O)[nH]c2c(c1c1ccc(cc1)Cl)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(-c3c1onc3C)ccc(c2)c1cnn(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(-c3c1onc3C)ccc(c2)c1cnn(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__